Geometry & MOs

Info

ID:	334824
PubChem CID:	127253630
Reduced:	N3O6C27H31 (1)
Stoich.:	A3B6C27D31 (1)
Weight, g/mol:	446.268176
ΔH_f, kcal/mol:	-181.42
Dipole, Da:	3.47
IP(EA), eV:	-8.69(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(9R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene-3-carbonyl]-1-ethyl-7-methyl-1,8-naphthyridin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NC2CCN(CC2)CC3=CN=CC=C3)C4=CC(=C(C=C4)O)OC)O

DOS

IR

Vibrations